3970-0124 Screening compound: 2-bromo-4-{[7-bromo-3-oxo[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-yliden]methyl}-6-methoxyphenyl acetate

3970-0124 Screening compound: 2-bromo-4-{[7-bromo-3-oxo[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-yliden]methyl}-6-methoxyphenyl acetate
3970-0124 Screening compound: 2-bromo-4-{[7-bromo-3-oxo[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-yliden]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-0124
2-bromo-4-{[7-bromo-3-oxo[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-yliden]methyl}-6-methoxyphenyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3970-0124

Molecular Formula

C18H11Br2N3O4S (C18 H11 Br2 N3 O4 S)

Compound Name

2-bromo-4-{[7-bromo-3-oxo[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-yliden]methyl}-6-methoxyphenyl acetate

IUPAC name

2-bromo-4-{[(4Z)-10-bromo-3-oxo-5-thia-2712-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}-6-methoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C(/C(n12)=O)\Sc1nc1c2ncc(Br)c1)c1)c1Br)=O

InChI

InChI=1S/C18H11Br2N3O4S/c1-8(24)27-15-11(20)3-9(4-13(15)26-2)5-14-17(25)23-16-12(22-18(23)28-14)6-10(19)7-21-16/h3-7H,1-2H3

InChI Key

ZASLFRPMONTTQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.18

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.15

Polar Surface Area

63.004

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3970-0124 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3970-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-0124?
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What is the minimum amount of 3970-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-0124
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3970-0124 available by request